[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol

C17H28N2O2 — CID 102936392

IUPAC[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol
SMILESCNC(CCN1CC(C)OC(CO)C1)c1cccc(C)c1
InChIInChI=1S/C17H28N2O2/c1-13-5-4-6-15(9-13)17(18-3)7-8-19-10-14(2)21-16(11-19)12-20/h4-6,9,14,16-18,20H,7-8,10-12H2,1-3H3
InChIKeyMQXZCPAYAVBFRF-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.73
Rot. Bonds6

About [6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol

[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol (PubChem CID 102936392) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is [6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol
PubChem CID102936392
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol
SMILESCNC(CCN1CC(C)OC(CO)C1)c1cccc(C)c1
InChIInChI=1S/C17H28N2O2/c1-13-5-4-6-15(9-13)17(18-3)7-8-19-10-14(2)21-16(11-19)12-20/h4-6,9,14,16-18,20H,7-8,10-12H2,1-3H3
InChIKeyMQXZCPAYAVBFRF-UHFFFAOYSA-N
XLogP1.73
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine
CID 104960603
[4-[2-amino-1-(3-methylphenyl)propyl]-6-methylmorpholin-2-yl]methanol
CID 102932113
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466
1-[3-(ethylamino)-3-(3-methylphenyl)propyl]pyrrolidine-3,4-diol
CID 106674066
[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935690
1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
CID 106674181
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(3-methylphenyl)propan-1-ol
CID 81214348
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine
CID 66372167
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55215794
[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935770
2-(2,6-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
CID 61310482
[4-[2-[3-(aminomethyl)phenoxy]ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932263

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol?
The IUPAC name of [6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol (CID 102936392) is [6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol.
What is the SMILES notation for [6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol?
The canonical SMILES for [6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol is CNC(CCN1CC(C)OC(CO)C1)c1cccc(C)c1.
What is the InChIKey of [6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol?
The InChIKey is MQXZCPAYAVBFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-5-4-6-15(9-13)17(18-3)7-8-19-10-14(2)21-16(11-19)12-20/h4-6,9,14,16-18,20H,7-8,10-12H2,1-3H3.
What are the key properties of [6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol?
[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol has a molecular weight of 292.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol is sourced from PubChem (CID 102936392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).